4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid

C19H20ClN3O2 — CID 90905708

IUPAC4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid
SMILESCCc1nc2cc(Cl)cnc2n1-c1ccc(CCC(C)C(=O)O)cc1
InChIInChI=1S/C19H20ClN3O2/c1-3-17-22-16-10-14(20)11-21-18(16)23(17)15-8-6-13(7-9-15)5-4-12(2)19(24)25/h6-12H,3-5H2,1-2H3,(H,24,25)
InChIKeyXUDQWBIYIHPVAL-UHFFFAOYSA-N
MW357.84 g/mol
LogP4.29
Rot. Bonds6

About 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid

4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid (PubChem CID 90905708) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid
PubChem CID90905708
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid
SMILESCCc1nc2cc(Cl)cnc2n1-c1ccc(CCC(C)C(=O)O)cc1
InChIInChI=1S/C19H20ClN3O2/c1-3-17-22-16-10-14(20)11-21-18(16)23(17)15-8-6-13(7-9-15)5-4-12(2)19(24)25/h6-12H,3-5H2,1-2H3,(H,24,25)
InChIKeyXUDQWBIYIHPVAL-UHFFFAOYSA-N
XLogP4.29
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid?
The IUPAC name of 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid (CID 90905708) is 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid.
What is the SMILES notation for 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid?
The canonical SMILES for 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid is CCc1nc2cc(Cl)cnc2n1-c1ccc(CCC(C)C(=O)O)cc1.
What is the InChIKey of 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid?
The InChIKey is XUDQWBIYIHPVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-3-17-22-16-10-14(20)11-21-18(16)23(17)15-8-6-13(7-9-15)5-4-12(2)19(24)25/h6-12H,3-5H2,1-2H3,(H,24,25).
What are the key properties of 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid?
4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid has a molecular weight of 357.84 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-chloro-2-ethylimidazo[4,5-b]pyridin-3-yl)phenyl]-2-methylbutanoic acid is sourced from PubChem (CID 90905708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).